@MOLECULE 3-hydroxy-5-{[(4as,6as,6br,11ar,11bs)-6b-hydroxy-4,4,6a,11b-tetramethyl-9,10-dioxo-2,3,4,4a,5,6,6a,6b,9,10,10a,11,11a,11b-tetradecahydro-1h-benzo[a]fluoren-8-yl]methoxy}-3-methyl-5-oxopentanoic acid 76 79 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0123 2.9541 1.0425 O.3 1 UNL11 -0.5513 2 O 0.1419 1.1220 -2.6328 O.2 1 UNL11 -0.3559 3 O 2.2440 2.8056 -1.5464 O.2 1 UNL11 -0.3651 4 O 3.1929 0.9462 0.9778 O.3 1 UNL11 -0.4428 5 O 4.9813 1.5971 2.1624 O.2 1 UNL11 -0.5043 6 O 4.1092 -0.8578 -1.1304 O.3 1 UNL11 -0.5673 7 O 5.5738 -4.1372 -1.1933 O.3 1 UNL11 -0.5565 8 O 5.0375 -3.4269 0.8449 O.2 1 UNL11 -0.5304 9 C -2.6622 0.3180 -0.7194 C.3 1 UNL11 -0.1488 10 C -4.1629 -0.0498 -0.5128 C.3 1 UNL11 0.0815 11 C -1.8699 0.5080 0.6080 C.3 1 UNL11 0.0335 12 C -4.1538 -1.2515 0.4732 C.3 1 UNL11 -0.1474 13 C -1.2103 1.9289 0.4927 C.3 1 UNL11 0.2562 14 C -2.4388 1.5740 -1.5843 C.3 1 UNL11 -0.2695 15 C -2.7541 0.4176 1.8542 C.3 1 UNL11 -0.2949 16 C -1.2055 2.2815 -1.0160 C.3 1 UNL11 -0.2382 17 C -5.4785 -2.0627 0.5551 C.3 1 UNL11 0.1015 18 C -3.6467 -0.8328 1.8672 C.3 1 UNL11 -0.2720 19 C -4.6905 -0.5190 -1.8929 C.3 1 UNL11 -0.2983 20 C -4.9953 1.1410 -0.0172 C.3 1 UNL11 -0.4703 21 C -0.7687 -0.5599 0.6884 C.3 1 UNL11 -0.4678 22 C -5.9052 -2.4592 -0.8772 C.3 1 UNL11 -0.2947 23 C -6.0382 -1.2345 -1.7846 C.3 1 UNL11 -0.2605 24 C 0.1306 1.9991 1.1752 C.2 1 UNL11 -0.1069 25 C 0.0731 1.8204 -1.6620 C.2 1 UNL11 0.3574 26 C -6.6398 -1.3420 1.2515 C.3 1 UNL11 -0.4636 27 C -5.1990 -3.3662 1.3375 C.3 1 UNL11 -0.4748 28 C 1.2871 2.1672 0.5237 C.2 1 UNL11 -0.1693 29 C 1.3295 2.3103 -0.9452 C.2 1 UNL11 0.3517 30 C 2.6054 2.2336 1.2213 C.3 1 UNL11 -0.0083 31 C 4.4376 0.7558 1.4974 C.2 1 UNL11 0.6180 32 C 4.9471 -0.5925 1.1129 C.3 1 UNL11 -0.4394 33 C 5.2910 -0.6653 -0.3904 C.3 1 UNL11 0.3808 34 C 6.1357 -1.9138 -0.7258 C.3 1 UNL11 -0.3879 35 C 6.0019 0.5990 -0.8762 C.3 1 UNL11 -0.5185 36 C 5.5060 -3.1771 -0.2356 C.2 1 UNL11 0.6753 37 H -2.1978 -0.5414 -1.2697 H 1 UNL11 0.1491 38 H -3.4003 -1.9748 0.0544 H 1 UNL11 0.1373 39 H -3.3137 2.2487 -1.5535 H 1 UNL11 0.1556 40 H -2.3020 1.3041 -2.6478 H 1 UNL11 0.1600 41 H -3.4096 1.3103 1.9230 H 1 UNL11 0.1481 42 H -2.1270 0.4256 2.7657 H 1 UNL11 0.1304 43 H -1.2978 3.3912 -1.1402 H 1 UNL11 0.1909 44 H -4.5013 -0.6464 2.5456 H 1 UNL11 0.1385 45 H -3.0919 -1.6801 2.3133 H 1 UNL11 0.1358 46 H -4.7710 0.3465 -2.5752 H 1 UNL11 0.1380 47 H -3.9578 -1.2025 -2.3646 H 1 UNL11 0.1394 48 H -4.3770 2.0362 0.1370 H 1 UNL11 0.1594 49 H -5.7854 1.4141 -0.7231 H 1 UNL11 0.1436 50 H -5.4805 0.9293 0.9408 H 1 UNL11 0.1503 51 H -1.2033 -1.5681 0.6908 H 1 UNL11 0.1589 52 H -0.1686 -0.4791 1.6009 H 1 UNL11 0.1501 53 H -0.0854 -0.5087 -0.1684 H 1 UNL11 0.1568 54 H -5.1615 -3.1568 -1.3062 H 1 UNL11 0.1382 55 H -6.8577 -3.0171 -0.8438 H 1 UNL11 0.1347 56 H -6.3838 -1.5432 -2.7889 H 1 UNL11 0.1309 57 H -6.8150 -0.5493 -1.3980 H 1 UNL11 0.1378 58 H 0.0867 1.9187 2.2634 H 1 UNL11 0.1617 59 H -6.3771 -1.0249 2.2652 H 1 UNL11 0.1404 60 H -6.9562 -0.4532 0.6949 H 1 UNL11 0.1515 61 H -7.5146 -1.9975 1.3328 H 1 UNL11 0.1437 62 H -4.3822 -3.9404 0.8894 H 1 UNL11 0.1435 63 H -4.9295 -3.1583 2.3769 H 1 UNL11 0.1444 64 H -6.0834 -4.0115 1.3543 H 1 UNL11 0.1457 65 H -2.1834 2.8173 1.9958 H 1 UNL11 0.3192 66 H 2.5279 2.3853 2.3138 H 1 UNL11 0.1457 67 H 3.2724 3.0130 0.7960 H 1 UNL11 0.1614 68 H 4.1869 -1.3792 1.3530 H 1 UNL11 0.2206 69 H 5.8294 -0.8532 1.7340 H 1 UNL11 0.1954 70 H 7.1556 -1.8171 -0.2997 H 1 UNL11 0.1840 71 H 6.2674 -1.9625 -1.8355 H 1 UNL11 0.2061 72 H 6.3049 0.5059 -1.9275 H 1 UNL11 0.1702 73 H 6.8925 0.8276 -0.2818 H 1 UNL11 0.1638 74 H 5.3417 1.4769 -0.8312 H 1 UNL11 0.1704 75 H 3.4528 -0.1519 -0.9443 H 1 UNL11 0.3429 76 H 5.1580 -4.9935 -0.9263 H 1 UNL11 0.3542 @BOND 1 1 13 1 2 1 65 1 3 2 25 2 4 3 29 2 5 4 30 1 6 4 31 1 7 5 31 2 8 6 75 1 9 7 36 1 10 7 76 1 11 8 36 2 12 9 10 1 13 9 14 1 14 9 37 1 15 10 12 1 16 10 19 1 17 10 20 1 18 11 9 1 19 11 15 1 20 11 21 1 21 12 17 1 22 12 18 1 23 12 38 1 24 13 11 1 25 13 24 1 26 14 16 1 27 14 39 1 28 14 40 1 29 15 18 1 30 15 41 1 31 15 42 1 32 16 13 1 33 16 25 1 34 16 43 1 35 17 22 1 36 17 26 1 37 17 27 1 38 18 44 1 39 18 45 1 40 19 23 1 41 19 46 1 42 19 47 1 43 20 48 1 44 20 49 1 45 20 50 1 46 21 51 1 47 21 52 1 48 21 53 1 49 22 23 1 50 22 54 1 51 22 55 1 52 23 56 1 53 23 57 1 54 24 28 2 55 24 58 1 56 25 29 1 57 26 59 1 58 26 60 1 59 26 61 1 60 27 62 1 61 27 63 1 62 27 64 1 63 28 29 1 64 28 30 1 65 30 66 1 66 30 67 1 67 31 32 1 68 32 33 1 69 32 68 1 70 32 69 1 71 33 6 1 72 33 34 1 73 33 35 1 74 34 36 1 75 34 70 1 76 34 71 1 77 35 72 1 78 35 73 1 79 35 74 1